Spin Dynamics Forum

SpinDynamica support => Bug reports => Topic started by: RS1 on August 10, 2015, 10:39:58 AM

Title: Error using EnsembleAveraging during TransformationAmplitudeTable
Post by: RS1 on August 10, 2015, 10:39:58 AM
Hello,
I am using Mathematica version 10.1 and SpinDynamica version 2.13.1.
I encountered two problems while simulating a REDOR experiment (notebook attached) starting from REDOR example in (http://www.spindynamica.soton.ac.uk/usage/nmr-examples/).

(1) For a single  crystallite orientation, if I calculate REDOR trajectory of operators Iy and 2IxSz with an initial operator Iz, I do not see any evolution. Whereas, if I start the same calculation with an initial operator Iy, the result looks fine.

(2) When I try to calculate the powder averaged signal using EnsembleAveraging by TransformationAmplitudeTable, it produces errors.
 
It would be great if someone can help.
Best Regards,
Riddhiman

 
Title: Re: Error using EnsembleAveraging during TransformationAmplitudeTable
Post by: MalcolmHLevitt on September 29, 2015, 06:08:33 PM
Thanks Riddhiman,
 apologies for the delay in replying.

 I will add this to my list of tasks.

 Unfortunately I currently have little time to attend to SpinDynamica.

best wishes
malcolm
Title: Re: Error using EnsembleAveraging during TransformationAmplitudeTable
Post by: MalcolmHLevitt on December 20, 2015, 12:49:03 PM
Hello Riddhiman, this bug has been fixed in the latest release (2.14.1)
malcolm